[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

C21H24N4O6S — CID 55646456

IUPAC[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(Cn3cccn3)o2)c1
InChIInChI=1S/C21H24N4O6S/c1-3-25(4-2)32(28,29)18-8-5-7-16(13-18)23-20(26)15-30-21(27)19-10-9-17(31-19)14-24-12-6-11-22-24/h5-13H,3-4,14-15H2,1-2H3,(H,23,26)
InChIKeyVUZLSEIZHNBZTP-UHFFFAOYSA-N
MW460.51 g/mol
LogP2.35
Rot. Bonds10

About [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (PubChem CID 55646456) has the molecular formula C21H24N4O6S and a molecular weight of 460.51 g/mol. Its IUPAC name is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
PubChem CID55646456
Molecular FormulaC21H24N4O6S
Molecular Weight460.51 g/mol
Exact Mass460.14
IUPAC Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(Cn3cccn3)o2)c1
InChIInChI=1S/C21H24N4O6S/c1-3-25(4-2)32(28,29)18-8-5-7-16(13-18)23-20(26)15-30-21(27)19-10-9-17(31-19)14-24-12-6-11-22-24/h5-13H,3-4,14-15H2,1-2H3,(H,23,26)
InChIKeyVUZLSEIZHNBZTP-UHFFFAOYSA-N
XLogP2.35
TPSA123.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 35760199
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536329
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777321
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950215
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646701
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646580
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
CID 3654824
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2434657
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646855
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 42985535
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 42985627

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (CID 55646456) is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.
What is the SMILES notation for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The canonical SMILES for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(Cn3cccn3)o2)c1.
What is the InChIKey of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The InChIKey is VUZLSEIZHNBZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O6S/c1-3-25(4-2)32(28,29)18-8-5-7-16(13-18)23-20(26)15-30-21(27)19-10-9-17(31-19)14-24-12-6-11-22-24/h5-13H,3-4,14-15H2,1-2H3,(H,23,26).
What are the key properties of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate has a molecular weight of 460.51 g/mol, XLogP of 2.35, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is sourced from PubChem (CID 55646456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).